- InChI
- InChI=1S/C15H16Cl2O4/c1-2-12(11-6-4-3-5-7-11)21-15(19)9-8-14(18)20-10-13(16)17/h3-9,12-13H,2,10H2,1H3/b9-8+
- InChI Key
- LJAZILGVFMIGHS-CMDGGOBGSA-N
- Formula
- C15H16Cl2O4
- SMILES
-
CCC(OC(=O)C=CC(=O)OCC(Cl)Cl)c1
ccccc1 - Molecular Weight1
- 331.19
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -228.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.584 | Crippen Calculated Property | |
| McVol | 233.510 | ml/mol | McGowan Calculated Property |
| Pc | 1991.21 | kPa | Joback Calculated Property |
| Inp | [2188.00; 2188.00] |
|
|
| Inp | 2188.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Tboil | 800.00 | K | Joback Calculated Property |
| Tc | 1022.79 | K | Joback Calculated Property |
| Tfus | 454.31 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.15; 681.40] | J/mol×K | [800.00; 1022.79] |
|
| Cp,gas | 621.15 | J/mol×K | 800.00 | Joback Calculated Property |
| Cp,gas | 633.61 | J/mol×K | 837.13 | Joback Calculated Property |
| Cp,gas | 645.05 | J/mol×K | 874.26 | Joback Calculated Property |
| Cp,gas | 655.51 | J/mol×K | 911.40 | Joback Calculated Property |
| Cp,gas | 665.03 | J/mol×K | 948.53 | Joback Calculated Property |
| Cp,gas | 673.65 | J/mol×K | 985.66 | Joback Calculated Property |
| Cp,gas | 681.40 | J/mol×K | 1022.79 | Joback Calculated Property |
| η | [0.0000604; 0.0009407] | Pa×s | [454.31; 800.00] |
|
| η | 0.0009407 | Pa×s | 454.31 | Joback Calculated Property |
| η | 0.0004601 | Pa×s | 511.93 | Joback Calculated Property |
| η | 0.0002600 | Pa×s | 569.54 | Joback Calculated Property |
| η | 0.0001632 | Pa×s | 627.15 | Joback Calculated Property |
| η | 0.0001108 | Pa×s | 684.77 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 742.38 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 800.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 2,2-dichloroethyl ester.
Sources
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